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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:03 UTC
Update Date2025-03-21 18:34:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100611
Frequency27.2
Structure
Chemical FormulaC7H11NOS
Molecular Mass157.0561
SMILESOC1CCC(N=C=S)CC1
InChI KeyCPWGOWRPDPLJAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • cyclohexanol
  • organic 1,3-dipolar compound
  • cyclic alcohol
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound